| SpectraBase Compound ID | CZmUf5YzCUE |
|---|---|
| InChI | InChI=1S/C13H16O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-7H,1,8-10H2,2H3 |
| InChIKey | BLDDYAZFUBQOTP-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFUSXqFDOf8 |
|---|---|
| Name | 5-Benzylhex-5-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-7H,1,8-10H2,2H3 |
| InChIKey | BLDDYAZFUBQOTP-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C1(=CC=CC=C1)CC(CCC(C)=O)=C |